| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2006 | 27 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.48 | 13.51 | -21.99 | 1 | 6 | 0 | 72 | 383.814 | 3 | ↓ |
| Ref Reference (pH 7) | 3.83 | 12.39 | -34.83 | 3 | 6 | 1 | 77 | 384.822 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 14.03 | -16.77 | 2 | 6 | 0 | 75 | 383.814 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 13.85 | -47.02 | 2 | 6 | 1 | 74 | 384.822 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 12 | -41.45 | 2 | 6 | 1 | 77 | 384.822 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 14.23 | -38.49 | 3 | 6 | 1 | 77 | 384.822 | 3 | ↓ |
